el1:  Si
struct:  diamond
lp:  5.431
ecoh:  4.63
surf:  100
size:  (1.0, 1.0, 7.0)
vacuum:  4.0
orig
n1: 7
ene1: -29.004537
ene1pa: -4.14350528571
esub: -4.63
sarea1:  14.7478805
esurff1:  1849.80912688  mJ/m^2
relaxed
ene2m: -29.201948
ene2mpa: -4.17170685714
sarea2:  14.7478805
esurff2m:  1742.57769622  mJ/m^2
